Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.31 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1535292 | 0.95 | TDP1 (0.41) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL2037899 | 0.95 | TDP1 (0.41) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL104024 | 0.95 | TDP1 (0.45) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL3323494 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL1534405 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| Hydrochloric Acid SCHEMBL8106508 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| SCHEMBL10605346 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL9764627 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL9803953 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL9764212 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2459523-A2 | IMPROVED PROCESS FOR THE SULFOCHLORINATION OF HYDROCARBONS | Dow Global Technologies LLC (US) | 2012-06-06 | — | — | EP | claimed |
| US-20120116121-A1 | PROCESS FOR THE SULFOCHLORINATION OF HYDROCARBONS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2012-05-10 | — | — | US | claimed |
| WO-2011014553-A2 | IMPROVED PROCESS FOR THE SULFOCHLORINATION OF HYDROCARBONS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2011-02-03 | — | — | WO | claimed |